N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide

C19H25FN2O3 — CID 71921969

IUPACN-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC(NC(=O)C1=CCCCO1)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C19H25FN2O3/c1-13(21-19(24)18-4-2-3-11-25-18)16-12-14(20)5-6-17(16)22-9-7-15(23)8-10-22/h4-6,12-13,15,23H,2-3,7-11H2,1H3,(H,21,24)
InChIKeyHHCWXALXXWIABN-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.66
Rot. Bonds4

About N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 71921969) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID71921969
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC NameN-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC(NC(=O)C1=CCCCO1)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C19H25FN2O3/c1-13(21-19(24)18-4-2-3-11-25-18)16-12-14(20)5-6-17(16)22-9-7-15(23)8-10-22/h4-6,12-13,15,23H,2-3,7-11H2,1H3,(H,21,24)
InChIKeyHHCWXALXXWIABN-UHFFFAOYSA-N
XLogP2.66
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 71921969) is N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide is CC(NC(=O)C1=CCCCO1)c1cc(F)ccc1N1CCC(O)CC1.
What is the InChIKey of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is HHCWXALXXWIABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-13(21-19(24)18-4-2-3-11-25-18)16-12-14(20)5-6-17(16)22-9-7-15(23)8-10-22/h4-6,12-13,15,23H,2-3,7-11H2,1H3,(H,21,24).
What are the key properties of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 71921969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).